Mol:BMCCPUXAg002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 1 0 0 0 0 0999 V2000 | + | 28 30 0 0 1 0 0 0 0 0999 V2000 |
| − | 10.7606 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7606 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8946 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8946 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8946 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8946 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7606 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7606 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6266 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6266 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6266 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6266 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3698 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3698 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9630 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9630 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9685 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9685 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4927 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4927 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2994 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.2994 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.5073 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.5073 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.6413 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.6413 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.8981 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.8981 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.9200 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9200 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4208 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4208 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5367 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5367 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3049 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3049 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2509 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2509 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6254 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6254 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9344 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9344 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2946 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2946 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2727 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2727 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0648 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0648 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4806 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4806 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 11 18 1 6 0 0 0 | + | 11 18 1 6 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 6 10 2 0 0 0 0 | + | 6 10 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUXAg002 | + | ID BMCCPUXAg002 |
| − | NAME 5'-Butanoyl-phospho-inosine | + | NAME 5'-Butanoyl-phospho-inosine |
| − | FORMULA C14H19N4O9P | + | FORMULA C14H19N4O9P |
| − | EXACTMASS 418.0889 | + | EXACTMASS 418.0889 |
| − | AVERAGEMASS 418.2959 | + | AVERAGEMASS 418.2959 |
| − | SMILES CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 | + | SMILES CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06435 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06435 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 1 0 0 0 0 0999 V2000
10.7606 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8946 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8946 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7606 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6266 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6266 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3698 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9630 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9685 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4927 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2994 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5073 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6413 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8981 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9200 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4208 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5367 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3049 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2509 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9344 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2727 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.0648 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4806 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 4 1 0 0 0 0
11 9 1 0 0 0 0
9 8 1 0 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
11 18 1 6 0 0 0
11 12 1 0 0 0 0
8 7 2 0 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
14 18 1 6 0 0 0
12 13 1 0 0 0 0
12 16 1 1 0 0 0
6 1 1 0 0 0 0
6 10 2 0 0 0 0
14 15 1 0 0 0 0
13 17 1 1 0 0 0
15 19 1 0 0 0 0
19 26 1 0 0 0 0
26 25 1 0 0 0 0
26 28 1 0 0 0 0
26 27 2 0 0 0 0
25 20 1 0 0 0 0
20 21 1 0 0 0 0
20 24 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
5 7 1 0 0 0 0
2 1 1 0 0 0 0
14 13 1 0 0 0 0
S SKP 7
ID BMCCPUXAg002
NAME 5'-Butanoyl-phospho-inosine
FORMULA C14H19N4O9P
EXACTMASS 418.0889
AVERAGEMASS 418.2959
SMILES CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06435
M END
